Ghafoor N, Petrov I, Holec D, Greczynski G, Palisaitis J, Persson P O A, Hultman L, Birch J
Thin Film Physics Division, Department of Physics, Chemistry, and Biology (IFM), Linköping University, Linköping, SE-581 83, Sweden.
Materials Science Department, and Frederick Seitz Materials Research Laboratory, University of Illinois, 104 S. Goodwin Avenue, Urbana, Illinois, 61801, USA.
Sci Rep. 2018 Nov 5;8(1):16327. doi: 10.1038/s41598-018-34279-w.
Nanostructure formation via surface-diffusion-mediated segregation of ZrN and AlN in ZrAlN films during high mobility growth conditions is investigated for 0 ≤ × ≤ 1. The large immiscibility combined with interfacial surface and strain energy balance resulted in a hard nanolabyrinthine lamellar structure with well-defined (semi) coherent c-ZrN and w-AlN domains of sub-nm to ~4 nm in 0.2 ≤ × ≤ 0.4 films, as controlled by atom mobility. For high AlN contents (x > 0.49) Al-rich ZrN domains attain wurtzite structure within fine equiaxed nanocomposite wurtzite lattice. Slow diffusion in wurtzite films points towards crystal structure dependent driving force for decomposition. The findings of unlikelihood of iso-structural decomposition in c-ZrAlN, and stability of w-ZrAlN (in large × films) is complemented with first principles calculations.
研究了在高迁移率生长条件下，ZrAlN薄膜中通过ZrN和AlN的表面扩散介导偏析形成纳米结构的情况，其中0≤x≤1。在0.2≤x≤0.4的薄膜中，由于大的不混溶性以及界面表面和应变能平衡，在原子迁移率的控制下，形成了具有明确的（半）相干c-ZrN和w-AlN畴的硬纳米迷宫状层状结构，畴尺寸为亚纳米至约4纳米。对于高AlN含量（x>0.49），富Al的ZrN畴在精细等轴纳米复合纤锌矿晶格中获得纤锌矿结构。纤锌矿薄膜中的缓慢扩散表明分解的驱动力与晶体结构有关。c-ZrAlN中同结构分解不太可能以及w-ZrAlN（在大x薄膜中）稳定性的研究结果得到了第一性原理计算的补充。
